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5-bromo-N-(2-methoxyethyl)pyrimidin-2-amine

5-bromo-N-(2-methoxyethyl)pyrimidin-2-amine

CAS: 886365-79-3

Formula: C7H10BrN3O

SMILES: COCCNC1=NC=C(Br)C=N1

IUPAC: 5-bromo-N-(2-methoxyethyl)pyrimidin-2-amine

InChI: InChI=1S/C7H10BrN3O/c1-12-3-2-9-7-10-4-6(8)5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)

Composition: C (36.23%), H (4.34%), Br (34.43%), N (18.11%), O (6.89%)

Molar Mass: 232.081

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.000725
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HIDHZHFCKYPDIW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.53
Topological Polar Surface Area 47.04
Polarizability 18.86
Ring Count 1
Rotatable Bond Count 4

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